REMARK 1 File created by GaussView 5.0.9 HETATM 1 O 0 0.431 0.583 -0.006 O HETATM 2 H 0 1.283 1.027 -0.006 H HETATM 3 H 0 -0.271 1.238 -0.006 H END CONECT 1 2 3 CONECT 2 1 CONECT 3 1